⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1995299 | 0.75 | — | — | |
| SCHEMBL28595179 | 0.67 | GAA (0.30) | — | |
| SCHEMBL1992372 | 0.67 | EPHX1 (0.33) | — | |
| SCHEMBL23378370 | 0.64 | — | — | |
| SCHEMBL17887811 | 0.64 | — | — | |
| SCHEMBL57611 | 0.64 | — | — | |
| SCHEMBL5611645 | 0.61 | ADH1B (0.42) | — | |
| SCHEMBL5611535 | 0.61 | — | — | |
| SCHEMBL2570981 | 0.61 | — | — | |
| SCHEMBL7903017 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109865507-B | Silica gel matrix surface modification method and application thereof | 中国科学院大连化学物理研究所 | 2021-08-17 | — | — | CN | disclosed |